2-(1-methoxynaphthalen-2-yl)-4,4-dimethyl-5H-1,3-oxazole;hydrochloride

C16H18ClNO2 — CID 21275658

IUPAC2-(1-methoxynaphthalen-2-yl)-4,4-dimethyl-5H-1,3-oxazole;hydrochloride
SMILESCOc1c(C2=NC(C)(C)CO2)ccc2ccccc12.Cl
InChIInChI=1S/C16H17NO2.ClH/c1-16(2)10-19-15(17-16)13-9-8-11-6-4-5-7-12(11)14(13)18-3;/h4-9H,10H2,1-3H3;1H
InChIKeyVQEXJVAOMHDBTK-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.83
Rot. Bonds2

About 2-(1-methoxynaphthalen-2-yl)-4,4-dimethyl-5H-1,3-oxazole;hydrochloride

2-(1-methoxynaphthalen-2-yl)-4,4-dimethyl-5H-1,3-oxazole;hydrochloride (PubChem CID 21275658) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-(1-methoxynaphthalen-2-yl)-4,4-dimethyl-5H-1,3-oxazole;hydrochloride.

Molecular Properties

Compound Name2-(1-methoxynaphthalen-2-yl)-4,4-dimethyl-5H-1,3-oxazole;hydrochloride
PubChem CID21275658
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name2-(1-methoxynaphthalen-2-yl)-4,4-dimethyl-5H-1,3-oxazole;hydrochloride
SMILESCOc1c(C2=NC(C)(C)CO2)ccc2ccccc12.Cl
InChIInChI=1S/C16H17NO2.ClH/c1-16(2)10-19-15(17-16)13-9-8-11-6-4-5-7-12(11)14(13)18-3;/h4-9H,10H2,1-3H3;1H
InChIKeyVQEXJVAOMHDBTK-UHFFFAOYSA-N
XLogP3.83
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxynaphthalen-2-yl)-4,4-dimethyl-5H-1,3-oxazole;hydrochloride?
The IUPAC name of 2-(1-methoxynaphthalen-2-yl)-4,4-dimethyl-5H-1,3-oxazole;hydrochloride (CID 21275658) is 2-(1-methoxynaphthalen-2-yl)-4,4-dimethyl-5H-1,3-oxazole;hydrochloride.
What is the SMILES notation for 2-(1-methoxynaphthalen-2-yl)-4,4-dimethyl-5H-1,3-oxazole;hydrochloride?
The canonical SMILES for 2-(1-methoxynaphthalen-2-yl)-4,4-dimethyl-5H-1,3-oxazole;hydrochloride is COc1c(C2=NC(C)(C)CO2)ccc2ccccc12.Cl.
What is the InChIKey of 2-(1-methoxynaphthalen-2-yl)-4,4-dimethyl-5H-1,3-oxazole;hydrochloride?
The InChIKey is VQEXJVAOMHDBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2.ClH/c1-16(2)10-19-15(17-16)13-9-8-11-6-4-5-7-12(11)14(13)18-3;/h4-9H,10H2,1-3H3;1H.
What are the key properties of 2-(1-methoxynaphthalen-2-yl)-4,4-dimethyl-5H-1,3-oxazole;hydrochloride?
2-(1-methoxynaphthalen-2-yl)-4,4-dimethyl-5H-1,3-oxazole;hydrochloride has a molecular weight of 291.78 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxynaphthalen-2-yl)-4,4-dimethyl-5H-1,3-oxazole;hydrochloride is sourced from PubChem (CID 21275658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).